SCHEMBL521780

SCHEMBL521780

CN(C)C[C@H](O)c1ccc(O)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
TDP1 Q9NUW8 8/20 0.58
ADRB2 P07550 7/20 0.58
KDM4E B2RXH2 7/20 0.58
ADRB1 P08588 5/20 0.58
BLM P54132 5/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
ADRB3 P13945 4/20 0.58
MAPK1 P28482 4/20 0.58
APEX1 P27695 3/20 0.58
RECQL P46063 3/20 0.58
HPGD P15428 3/20 0.58
ADORA3 P0DMS8 3/20 0.58
DRD2 P14416 3/20 0.58
ADRA1D P25100 3/20 0.58
ADRA1A P35348 3/20 0.58
ADRA1B P35368 3/20 0.58
CYP3A4 P08684 3/20 0.58
ADRA2A P08913 2/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL521779 1.00 MAPT (0.58) MAPTTDP1ADRB2KDM4EADRB1
SCHEMBL17053665 0.87 MAPT (0.56) MAPTTDP1ADRB2KDM4EADRB1
SCHEMBL25100809 0.84 TDP1 (0.53) MAPTTDP1ADRB2KDM4EADRB1
SCHEMBL22971597 0.84 MAPT (0.54) MAPTTDP1ADRB2KDM4EADRB1
SCHEMBL328574 0.82 TDP1 (0.51) MAPTTDP1ADRB2KDM4EADRB1
SCHEMBL11184587 0.82 ADRB2 (0.57) TDP1ADRB2ADRB1TSHRCYP1A2
SCHEMBL31392613 0.81 RAD52 (0.60) MAPTTDP1ADRB2KDM4EADRB1
SCHEMBL23040663 0.81 KDM4E (0.53) MAPTTDP1ADRB2KDM4EADRB1
SCHEMBL23040664 0.81 KDM4E (0.53) MAPTTDP1ADRB2KDM4EADRB1
SCHEMBL9768101 0.80 MAPT (0.49) MAPTTDP1ADRB2KDM4EADRB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9964552-B2 Mass spectrometric identification and/or quantitation of catecholamines using aminopyrazoles DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2018-05-08 US claimed
US-20160305969-A1 MASS SPECTROMETRIC IDENTIFICATION AND/OR QUANTITATION OF CATECHOLAMINES USING AMINOPYRAZOLES DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2016-10-20 US claimed
EP-3063540-A1 MASS SPECTROMETRIC IDENTIFICATION AND/OR QUANTITATION OF CATECHOLAMINES USING AMINOPYRAZOLES DH Technologies Development PTE. Ltd. (SG) 2016-09-07 EP claimed
CN-105659078-A Mass spectrometric identification and/or quantitation of catecholamines using aminopyrazoles DH科技发展私人贸易有限公司 2016-06-08 CN claimed
WO-2015063563-A1 MASS SPECTROMETRIC IDENTIFICATION AND/OR QUANTITATION OF CATECHOLAMINES USING AMINOPYRAZOLES DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2015-05-07 WO claimed
US-20120029085-A1 STABILIZATION OF QUINOL COMPOSITION SUCH AS CATECHOLAMINE DRUGS MACKAY JON (US) 2012-02-02 US claimed
US-20240074995-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FIRST WAVE BIO, INC. 2024-03-07 US disclosed
US-11793777-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FIRST WAVE BIO, INC. (US) 2023-10-24 US disclosed
US-11744812-B2 Methods of treatment FIRST WAVE BIO, INC. (US) 2023-09-05 US disclosed
US-20230201143-A1 METHODS OF TREATMENT FIRST WAVE BIO, INC. 2023-06-29 US disclosed
US-20230190684-A1 METHODS OF TREATING COVID-19 WITH A NICLOSAMIDE COMPOUND FIRST WAVE BIO, INC. 2023-06-22 US disclosed
US-20230102999-A1 DEUTERATED NICLOSAMIDE FIRST WAVE BIO, INC. 2023-03-30 US disclosed
WO-2023028350-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS BOYCE THOMPSON INSTITUTE FOR PLANT RESEARCH, INC. (US) 2023-03-02 WO disclosed
US-8163701-B2 Prodrugs of active agents SIGNATURE THERAPEUTICS, INC. (US) 2012-04-24 US disclosed
US-20120029085-A1 STABILIZATION OF QUINOL COMPOSITION SUCH AS CATECHOLAMINE DRUGS MACKAY JON (US) 2012-02-02 US disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
WO-2008139152-A1 N-OXIDE-CONTAINING PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2008-11-20 WO disclosed
EP-1928881-A2 PRODRUGS OF ACTIVE AGENTS Pharmacofore, Inc. (US) 2008-06-11 EP disclosed
US-20070123468-A1 Prodrugs of active agents PHARMACOFORE, INC. 2007-05-31 US disclosed
WO-2007022535-A2 PRODRUGS OF ACTIVE AGENTS PHARMACOFORE, INC. (US) 2007-02-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240074995-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FH, CS, ECHS1 MAPT 954/4885TDP1 1443/4885ADRB2 3795/4885
US-20160305969-A1 MASS SPECTROMETRIC IDENTIFICATION AND/OR QUANTITATION OF CATECHOLAMINES USING AMINOPYRAZOLES AADAT, AASDHPPT, AANAT MAPT 2854/4885TDP1 1064/4885ADRB2 73/4885
US-20230190684-A1 METHODS OF TREATING COVID-19 WITH A NICLOSAMIDE COMPOUND ACE2, ACE, MME MAPT 704/4885TDP1 4136/4885ADRB2 2647/4885
US-11744812-B2 Methods of treatment ACE2, ACE, SI MAPT 845/4885TDP1 3753/4885ADRB2 3018/4885
US-20230201143-A1 METHODS OF TREATMENT ACE2, ACE, SI MAPT 753/4885TDP1 3910/4885ADRB2 3495/4885
US-20230102999-A1 DEUTERATED NICLOSAMIDE FH, IDH2, ECHS1 MAPT 1112/4885TDP1 1453/4885ADRB2 2922/4885
US-20120029085-A1 STABILIZATION OF QUINOL COMPOSITION SUCH AS CATECHOLAMINE DRUGS ADRA2C, ADRB2, ADRB1 MAPT 984/4885TDP1 1679/4885ADRB2 2/4885
US-20070123468-A1 Prodrugs of active agents PAICS, AADAC, NQO1 MAPT 3235/4885TDP1 335/4885ADRB2 3261/4885
US-11793777-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FH, CS, ECHS1 MAPT 971/4885TDP1 1471/4885ADRB2 3816/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.